ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 296266-50-7) is a chemical compound with molecular formula C16H18Cl3NO3 and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methylindole-3-carboxylate
Also Known As: ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate, BAS 00311419, ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methylindole-3-carboxylate, ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-indole-3-carboxylate, C16H18Cl3NO3
| Molecular Formula | C16H18Cl3NO3 |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 5.59232 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.03522 |
| Heavy Atoms | 23 |
| Complexity | 768.2418 |
Chemical Identifiers
| CAS Number | 296266-50-7 |
|---|---|
| SMILES | CCCCN1C(=C(C2=C1C(=C(C(=C2O)Cl)Cl)Cl)C(=O)OCC)C |
Product Overview
ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 296266-50-7), with molecular formula C16H18Cl3NO3 and molecular weight 377.04 g/mol. IUPAC: ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methylindole-3-carboxylate.
Chemical Property Profile of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 5.59232 indicates that ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate is 296266-50-7.
What is the molecular formula of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate is C16H18Cl3NO3.
What is the molecular weight of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate is 377.04 g/mol.
Where can I buy ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-butyl-5,6,7-trichloro-4-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.